1-(piperidin-2-yl)propan-1-ol

• ChemBase ID: 272573
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1C(C(O)CC)CCCC1
• Canonical SMILES: CCC(C1CCCCN1)O
• InChI: InChI=1S/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3
• InChIKey: VCCAAURNBULZRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-2-yl)propan-1-ol
• IUPAC Traditional name: conhydrine
• Synonyms: 1-(piperidin-2-yl)propan-1-ol

Database IDs

• MDL Number: MFCD18785452
• PubChem SID: 164328483
• PubChem CID: 10314

CALCULATED PROPERTIES

• Acid pKa: 14.613637
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2516048
• LogD (pH = 7.4): -1.532756
• Log P: 0.9662501
• Molar Refractivity: 41.7407 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 84°C
• Hydrophobicity(logP): 1.089

Product Information

• Purity: 95%